[3-[[butan-2-yl-(2-methylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[butan-2-yl-(2-methylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(2-methylbenzoyl)-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[butan-2-yl-[(2-methylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(2-methylbenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[o-toluoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)C2=CC=CC=C2C

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)C2=CC=CC=C2C

InChI

InChI=1S/C21H27NO4S/c1-5-17(4)22(21(23)20-13-8-7-10-16(20)3)15-18-11-9-12-19(14-18)26-27(24,25)6-2/h7-14,17H,5-6,15H2,1-4H3